3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide

C20H17ClN2O2S — CID 45221171

IUPAC3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1cccnc1-c1ccc2c(c1)CC(CNC(=O)c1sccc1Cl)O2
InChIInChI=1S/C20H17ClN2O2S/c1-12-3-2-7-22-18(12)13-4-5-17-14(9-13)10-15(25-17)11-23-20(24)19-16(21)6-8-26-19/h2-9,15H,10-11H2,1H3,(H,23,24)
InChIKeyVJDUZAHCWDCLKK-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.51
Rot. Bonds4

About 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide

3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 45221171) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
PubChem CID45221171
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1cccnc1-c1ccc2c(c1)CC(CNC(=O)c1sccc1Cl)O2
InChIInChI=1S/C20H17ClN2O2S/c1-12-3-2-7-22-18(12)13-4-5-17-14(9-13)10-15(25-17)11-23-20(24)19-16(21)6-8-26-19/h2-9,15H,10-11H2,1H3,(H,23,24)
InChIKeyVJDUZAHCWDCLKK-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 45184078
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-2-carboxamide
CID 126465751
3-methyl-N-[[5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 45189912
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 45180649
N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 45172376
N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26341482
N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
CID 42461633
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42376329
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]quinoline-2-carboxamide
CID 45180650
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylquinoline-4-carboxamide
CID 45166172
2,5-dimethyl-N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 45180483
3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42326297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide (CID 45221171) is 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide is Cc1cccnc1-c1ccc2c(c1)CC(CNC(=O)c1sccc1Cl)O2.
What is the InChIKey of 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is VJDUZAHCWDCLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-12-3-2-7-22-18(12)13-4-5-17-14(9-13)10-15(25-17)11-23-20(24)19-16(21)6-8-26-19/h2-9,15H,10-11H2,1H3,(H,23,24).
What are the key properties of 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[5-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 45221171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).